Intrasite 4f-5d electronic correlations in the quadrupolar model of the γ-α phase transition in Ce -: art. no. 054103

被引：0
|
作者：
Nikolaev, AV [1 ]
Michel, KH
机构：
[1] Univ Instelling Antwerp, Dept Phys, B-2610 Antwerp, Belgium
[2] Russian Acad Sci, Inst Phys Chem, Moscow 117915, Russia
来源：
PHYSICAL REVIEW B | 2002年 / 66卷 / 05期
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T [工业技术];
学科分类号：
08 ;
摘要：
As a possible mechanism of the gamma-alpha phase transition in pristine cerium a change of the electronic density from a disordered state with symmetry Fm (3) over barm to an ordered state Pa (3) over bar has been proposed. Here we include on-site and intersite electron correlations involving one localized 4f electron and one conduction 5d electron per atom. The model is used to calculate the crystal field of gamma-Ce and the temperature evolution of the mean field of alpha-Ce. The formalism can be applied to crystals where quadrupolar ordering involves several electrons on the same site.
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页数：12
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